Vitas-M small molecule compound
N-(4-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Catalog ID
STK262624
SMILES S=C(N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)Nc1ccc(cc1)C(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H23N7O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O3S/c1-12(28)13-4-6-14(7-5-13)21-19(31)27-10-8-26(9-11-27)18-22-15-16(23-18)24(2)20(30)25(3)17(15)29/h4-7H,8-11H2,1-3H3,(H,21,31)(H,22,23)InChIKey
JQPAJTWENRKHAB-UHFFFAOYSA-NSynonyms
885900-01-61ACETYL4(((4(13DIMETHYL26DIOXO(137TRIHYDROPURIN8YL))PIPERAZINYL)THIOXOMETHYL)AMINO)BENZENE
885900016
CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C
InChI=1SC20H23N7O3Sc112(28)134614(7513)2119(31)2710826(91127)18221516(2318)24(2)20(30)25(3)17(15)29h47H811H213H3(H2131)(H2223)
MFCD07037348
N(4acetylphenyl)4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazine1carbothioamide
N(4acetylphenyl)4(13dimethyl26dioxo7Hpurin8yl)piperazine1carbothioamide
S=C(N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)Nc1ccc(cc1)C(=O)C
ZINC000008775211
ZINC08775211
ZINC8775211
Check stock
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